An Investigation on Substitution of Ag Atoms for Al or Ti Atoms in the Ti<sub>2</sub>AlC MAX Phase Ceramic Based on First-Principles Calculations

An Investigation on Substitution of Ag Atoms for Al or Ti Atoms in the Ti<sub>2</sub>AlC MAX Phase Ceramic Based on First-Principles Calculations

The present work introduced first-principles calculation to explore the substitution behavior of Ag atoms for Al or Ti atoms in the Ti<sub>2</sub>AlC MAX phase ceramic. The effect of Ag substitution on supercell parameter, bonding characteristic, and stability of the Ti<sub>2</s...

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Bibliographic Details
Main Authors: Guochao Wang, Jiahe Zhou, Weijian Chen, Jianguo Yang, Jie Zhang, Yanming He
Format: article
Language:EN
Published: MDPI AG 2021
Subjects:
Ti<sub>2</sub>AlC MAX phase ceramic
first-principles calculation
substitution behavior
bonding characteristic
stability
Technology
T
Electrical engineering. Electronics. Nuclear engineering
TK1-9971
Engineering (General). Civil engineering (General)
TA1-2040
Microscopy
QH201-278.5
Descriptive and experimental mechanics
QC120-168.85
Online Access:https://doaj.org/article/26e380887b344368bc1367d78cfecb88
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https://doaj.org/article/26e380887b344368bc1367d78cfecb88

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